N-(4-methyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine

C25H30N8O2S2 — CID 58879996

About N-(4-methyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine

N-(4-methyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 58879996) has the molecular formula C25H30N8O2S2 and a molecular weight of 538.70 g/mol. Its IUPAC name is N-(4-methyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: N-(4-methyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
• PubChem CID: 58879996
• Molecular Formula: C25H30N8O2S2
• Molecular Weight: 538.70 g/mol
• Exact Mass: 538.19
• IUPAC Name: N-(4-methyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
• SMILES: Cc1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCCCC1
• InChI: InChI=1S/C25H30N8O2S2/c1-17-11-22(36-25(17)37(34,35)32-9-4-3-5-10-32)30-23-24-27-14-21(19-13-28-31(2)15-19)33(24)16-20(29-23)18-7-6-8-26-12-18/h7,11,13-16,26H,3-6,8-10,12H2,1-2H3,(H,29,30)
• InChIKey: UZGJHNMILOICNP-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 109.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.70
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?

The IUPAC name of N-(4-methyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine (CID 58879996) is N-(4-methyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine.

What is the SMILES notation for N-(4-methyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?

The canonical SMILES for N-(4-methyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine is Cc1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N1CCCCC1.

What is the InChIKey of N-(4-methyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?

The InChIKey is UZGJHNMILOICNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O2S2/c1-17-11-22(36-25(17)37(34,35)32-9-4-3-5-10-32)30-23-24-27-14-21(19-13-28-31(2)15-19)33(24)16-20(29-23)18-7-6-8-26-12-18/h7,11,13-16,26H,3-6,8-10,12H2,1-2H3,(H,29,30).

What are the key properties of N-(4-methyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?

N-(4-methyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 538.70 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 58879996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).